Hamiltonian parameter inference from resonant inelastic x-ray scattering with active learning

Event Description

You are cordially invited to attend the biweekly Brookhaven AI Mixer (BAM). BAM includes one short talk on AI research happening at BNL, followed by an open mixer. The first half hour will consist of presentations that will be available via ZOOM, and the second half hour will be for in person only networking.

We meet every other Tuesday at noon in CDSD's Training Room (building 725, room 2-124) to learn about interesting AI methods and applications, engage with potential collaborators, prepare for pending FASST funding calls, and build a community of AI for Science at BNL.

Abstract: Identifying model Hamiltonians is a vital step toward creating predictive models of materials. W​e combined Bayesian optimization with the EDRIXS numerical package to infer Hamiltonian parameters from resonant inelastic X-ray scattering (RIXS) spectra within the single atom approximation. To evaluate the efficacy of our method, we tested it on experimental RIXS spectra for several materials and demonstrated that it can reproduce results obtained from hand-fitted parameters to a precision similar to expert human analysis while providing a more systematic mapping of parameter space. Our work provides a key first step toward solving the inverse scattering problem to extract effective multi- orbital models from information-dense RIXS measurements, which can be applied to a host of quantum materials.

Biography: Marton Lajer is a postdoctoral researcher at the Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory. Marton​ obtained his PhD in theoretical physics at the Eotvos Lorand University, Hungary, in 2021. He was a​ junior research fellow at the Wigner Research Centre for Physics in Budapest before joining BNL in September 2022. His background spans various analytical and performance-critical numerical methods, mostly in the context of low- dimensional quantum field theories and quantum many-body systems. His research currently focuses on incorporating AI-enhanced methods to various problems in inelastic spectroscopy.

In addition to our speaker, we will have a number of CDS staff in attendance with expertise in AI methods and applications including image analysis, foundation models development, and inverse problem solving.

Location: CDS, Bldg. 725, Training Room

Join ZoomGov Meeting: https://bnl.zoomgov.com/j/1604383624?pwd=ffQ5cUPNxTI7nzClKQO6cnsNbhF9Vf.1

Meeting ID: 160 438 3624
Passcode: 558449

Please Note: Due to a funding shortfall, we are for the time being no longer able to provide pizza and sodas for these events. We will have coffee though, and all are of course welcome to bring their lunch.

Date Start

Date End